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Cluster scaffolds:

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Putative metabolites:

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Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure

vancomycin 0 0.66 0.55 0.69 0.86 Glyco:2/2 * Cl:2/1 MIBiG Source CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O view vancomycin
balhimycin 1 0.65 0.53 0.69 0.86 Glyco:2/2 * Cl:2/1 MIBiG Source CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(=O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2O)Oc2ccc(cc2Cl)C1O view balhimycin
decaplanin 2 0.64 0.52 0.67 0.86 Glyco:3/2 * Cl:1/1 MIBiG Source CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(cc3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)Oc2ccc(cc2Cl)C1O view decaplanin
chloroeremomyci... 3 0.62 0.51 0.66 0.75 Glyco:3/2 * Cl:2/1 MIBiG Source CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O view chloroeremomycin
teicoplanin 4 0.54 0.54 0.58 0.4 Glyco:0/2 * Cl:2/1 MIBiG Source N[C@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O view teicoplanin
avoparcin 5 0.53 0.52 0.48 0.75 Glyco:4/2 * Cl:1/1 MIBiG Source CN[C@@H](C(=O)N[C@H]1C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@@H](N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O[C@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2)[C@H]1O)c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 view avoparcin
A47934 6 0.52 0.51 0.57 0.33 Glyco:0/2 * Cl:3/1 MIBiG Source N[C@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2OS(=O)(=O)O)c1cc(Cl)c(O)c(c1)-c1c(O)cc(O)cc1[C@@H](C(=O)O)NC3=O view A47934
UK-68,597 7 0.52 0.49 0.51 0.67 Glyco:2/2 * Cl:4/1 MIBiG Source C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]4NC(=O)[C@H](Cc5ccc(c(Cl)c5)O3)NC(=O)C(=O)c3cc(Cl)c(O)c(c3)Oc3cc(OS(=O)(=O)O)cc4c3)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@H](C(=O)O)NC2=O)C[C@](C)(N)[C@@H]1O view UK-68,597
hormaomycin A5 8 0.51 0.41 0.59 0.5 Glyco:0/2 * Cl:1/1 MIBiG Source C/C=C\[C@H]1C[C@H]2C(=O)O[C@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)n3O)C(=O)N[C@@H]([C@H](C)c3ccccc3)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@H](C)c3ccccc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2C1 view hormaomycin A5
hormaomycin A4 9 0.51 0.41 0.58 0.5 Glyco:0/2 * Cl:1/1 MIBiG Source C/C=C\[C@H]1C[C@H]2C(=O)O[C@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)n3O)C(=O)N[C@@H]([C@H](C)c3ccccc3)C(=O)N[C@H](C[C@@H]3C[C@H]3[N+](=O)[O-])C(=O)N[C@@H]([C@H](C)c3ccccc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2C1 view hormaomycin A4

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